1-[1,3-bis(oxidanylidene)-2-(2-pyrazol-1-ylethyl)isoindol-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(2-pyrazol-1-ylethyl)isoindol-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1,3-dioxo-2-(2-pyrazol-1-ylethyl)isoindolin-4-yl]-N-methyl-N-(3-thienylmethyl)piperidine-4-carboxamide CAS Name: 1-[1,3-dioxo-2-[2-(1-pyrazolyl)ethyl]-4-isoindolyl]-N-methyl-N-(3-thiophenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dioxo-2-(2-pyrazol-1-ylethyl)isoindol-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1,3-diketo-2-(2-pyrazol-1-ylethyl)isoindolin-4-yl]-N-methyl-N-(3-thenyl)isonipecotamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C25H27N5O3S/c1-27(16-18-8-15-34-17-18)23(31)19-6-11-28(12-7-19)21-5-2-4-20-22(21)25(33)30(24(20)32)14-13-29-10-3-9-26-29/h2-5,8-10,15,17,19H,6-7,11-14,16H2,1H3